Geometry & MOs

Info

ID:

434878

PubChem CID:

135175905

Reduced:

ClNO4H11C12 (2)

Stoich.:

ABC4D11E12 (2)

Weight, g/mol:

1105.443083

ΔHf, kcal/mol:

-245.49

Dipole, Da:

3.22

IP(EA), eV:

 -8.45(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N'-[3-fluoro-4-[7-[3-[3-[3-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N(CC(=O)O)C(=O)/C=C/OC(=O)CN(C2=CC(=CC(=C2)Cl)Cl)C(=O)C=C)OC

DOS

IR

Vibrations